2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

C14H20F2N4O2 — CID 175662572

IUPAC2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(C(F)F)N1CCCCC1c1nnc(C2CCCCN2)o1
InChIInChI=1S/C14H20F2N4O2/c15-11(16)14(21)20-8-4-2-6-10(20)13-19-18-12(22-13)9-5-1-3-7-17-9/h9-11,17H,1-8H2
InChIKeyAZZOEQZMYKHMAF-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.20
Rot. Bonds3

About 2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 175662572) has the molecular formula C14H20F2N4O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID175662572
Molecular FormulaC14H20F2N4O2
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC Name2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(C(F)F)N1CCCCC1c1nnc(C2CCCCN2)o1
InChIInChI=1S/C14H20F2N4O2/c15-11(16)14(21)20-8-4-2-6-10(20)13-19-18-12(22-13)9-5-1-3-7-17-9/h9-11,17H,1-8H2
InChIKeyAZZOEQZMYKHMAF-UHFFFAOYSA-N
XLogP2.20
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (CID 175662572) is 2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is O=C(C(F)F)N1CCCCC1c1nnc(C2CCCCN2)o1.
What is the InChIKey of 2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is AZZOEQZMYKHMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O2/c15-11(16)14(21)20-8-4-2-6-10(20)13-19-18-12(22-13)9-5-1-3-7-17-9/h9-11,17H,1-8H2.
What are the key properties of 2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 314.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 175662572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).